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Selecting Diversified Compounds to Build a Tangible Library for Biological and Biochemical Assays
The quality of diverse compound selection mainly depends on cluster algorithms, descriptors, the combinations of the descriptors, and similarity metrics. The Jarvis-Patrick algorithm, MDL search keys, and Daylight fingerprints are a well accepted algorithm and structure descriptors for compound libr...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257665/ https://www.ncbi.nlm.nih.gov/pubmed/20657406 http://dx.doi.org/10.3390/molecules15075031 |